5-Hepten-2-one, (E)-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    6714-00-7

    Molecular formula
    C7H12O

    SMILES
    C/C=C/CCC(=O)C

  • Odor profile

    Fragrance
    Fruity 79.15%
    Green 79.05%
    Herbal 68.25%
    Earthy 60.72%
    Fatty 57.31%
    Cheesy 54.61%
    Ketonic 48.09%
    Mushroom 46.78%
    Vegetable 46.74%
    Spicy 44.0%

     

    Flavor
    Green 57.29%
    Fruity 54.73%
    Fresh 34.95%
    Spicy 33.1%
    Fatty 32.62%
    Earthy 32.53%
    Herbal 31.89%
    Ethereal 31.26%
    Mushroom 29.48%
    Vegetable 29.27%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.41 (weak base)

    Molecular weight
    112.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    153°C

    Flash point

    • 45.48 ˚C est.

  • Synonyms

    • 5-HEPTEN-2-ONE
    • (5E)-5-Hepten-2-one
    • trans-5-hepten-2-one
    • 1071-94-9
    • 2-Hepten-6-one
    • (E)-hept-5-en-2-one
    • 6714-00-7
    • (E)-5-Hepten-2-one
    • YGD1BH6T9S
    • 5-Hepten-2-one, (E)-
    • NSC 128161
    • EINECS 229-768-7
    • UNII-YGD1BH6T9S
    • NSC-128161
    • 5-Hepten-2-one, (5E)-
    • DTXSID801315642
    • hept-5-en-2-one
    • DTXSID0064460
    • NSC128161
    • SCHEMBL673247
    • (5E)-5-Hepten-2-one #
    • DTXCID5044867
    • DTXCID10211180
    • CHEBI:167143
    • (5E)-HEPT-5-EN-2-ONE
    • LMFA12000110

  • Applications

    5-Hepten-2-one, (E)- (CAS 6714-00-7) is an alpha, beta-unsaturated ketone used mainly as a fragrance ingredient and fragrance intermediate in perfumery and personal care formulations. It may also serve as a building block or odorant in aroma applications for food-related flavor systems and beverages, and can be used in household products to contribute scent. In industrial manufacturing, it often serves as an intermediate for the synthesis of other aroma chemicals, and in coatings and inks it may be added to adjust odor profiles.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1139.89
    methanol 999.34
    isopropanol 944.25
    water 5.45
    ethyl acetate 435.42
    n-propanol 799.12
    acetone 590.36
    n-butanol 786.58
    acetonitrile 596.58
    DMF 618.73
    toluene 213.7
    isobutanol 557.02
    1,4-dioxane 997.8
    methyl acetate 387.77
    THF 1115.67
    2-butanone 407.68
    n-pentanol 459.3
    sec-butanol 694.51
    n-hexane 256.96
    ethylene glycol 243.24
    NMP 606.53
    cyclohexane 302.19
    DMSO 617.92
    n-butyl acetate 381.8
    n-octanol 365.74
    chloroform 1564.22
    n-propyl acetate 223.57
    acetic acid 693.99
    dichloromethane 1059.48
    cyclohexanone 682.32
    propylene glycol 409.98
    isopropyl acetate 238.9
    DMAc 483.52
    2-ethoxyethanol 435.53
    isopentanol 542.77
    n-heptane 226.54
    ethyl formate 274.39
    1,2-dichloroethane 430.63
    n-hexanol 721.07
    2-methoxyethanol 817.65
    isobutyl acetate 143.99
    tetrachloromethane 291.97
    n-pentyl acetate 245.28
    transcutol 1501.55
    n-heptanol 298.13
    ethylbenzene 141.9
    MIBK 213.94
    2-propoxyethanol 667.72
    tert-butanol 889.62
    MTBE 439.64
    2-butoxyethanol 364.96
    propionic acid 542.97
    o-xylene 158.04
    formic acid 194.39
    diethyl ether 531.94
    m-xylene 152.07
    p-xylene 168.26
    chlorobenzene 268.85
    dimethyl carbonate 98.8
    n-octane 65.26
    formamide 228.98
    cyclopentanone 624.13
    2-pentanone 376.18
    anisole 257.82
    cyclopentyl methyl ether 504.36
    gamma-butyrolactone 644.83
    1-methoxy-2-propanol 608.97
    pyridine 552.5
    3-pentanone 254.15
    furfural 507.66
    n-dodecane 48.52
    diethylene glycol 452.61
    diisopropyl ether 161.82
    tert-amyl alcohol 637.91
    acetylacetone 329.72
    n-hexadecane 52.26
    acetophenone 204.74
    methyl propionate 275.84
    isopentyl acetate 303.53
    trichloroethylene 794.82
    n-nonanol 295.17
    cyclohexanol 696.82
    benzyl alcohol 227.62
    2-ethylhexanol 387.94
    isooctanol 203.19
    dipropyl ether 389.92
    1,2-dichlorobenzene 238.07
    ethyl lactate 137.78
    propylene carbonate 360.57
    n-methylformamide 323.95
    2-pentanol 522.32
    n-pentane 237.09
    1-propoxy-2-propanol 508.48
    1-methoxy-2-propyl acetate 285.1
    2-(2-methoxypropoxy) propanol 363.08
    mesitylene 98.41
    ε-caprolactone 552.59
    p-cymene 126.41
    epichlorohydrin 576.62
    1,1,1-trichloroethane 549.09
    2-aminoethanol 487.93
    morpholine-4-carbaldehyde 670.34
    sulfolane 626.58
    2,2,4-trimethylpentane 73.28
    2-methyltetrahydrofuran 861.68
    n-hexyl acetate 437.0
    isooctane 53.69
    2-(2-butoxyethoxy)ethanol 504.67
    sec-butyl acetate 160.67
    tert-butyl acetate 245.09
    decalin 100.24
    glycerin 396.39
    diglyme 700.89
    acrylic acid 421.37
    isopropyl myristate 170.89
    n-butyric acid 718.13
    acetyl acetate 244.34
    di(2-ethylhexyl) phthalate 156.7
    ethyl propionate 212.49
    nitromethane 597.6
    1,2-diethoxyethane 455.65
    benzonitrile 322.03
    trioctyl phosphate 128.52
    1-bromopropane 451.6
    gamma-valerolactone 716.83
    n-decanol 211.7
    triethyl phosphate 133.61
    4-methyl-2-pentanol 239.87
    propionitrile 466.15
    vinylene carbonate 310.96
    1,1,2-trichlorotrifluoroethane 507.36
    DMS 220.35
    cumene 106.37
    2-octanol 222.98
    2-hexanone 272.25
    octyl acetate 225.42
    limonene 230.61
    1,2-dimethoxyethane 635.95
    ethyl orthosilicate 133.92
    tributyl phosphate 153.26
    diacetone alcohol 315.89
    N,N-dimethylaniline 191.29
    acrylonitrile 445.64
    aniline 308.6
    1,3-propanediol 592.17
    bromobenzene 262.35
    dibromomethane 778.52
    1,1,2,2-tetrachloroethane 689.07
    2-methyl-cyclohexyl acetate 225.25
    tetrabutyl urea 192.36
    diisobutyl methanol 182.82
    2-phenylethanol 276.2
    styrene 178.88
    dioctyl adipate 243.05
    dimethyl sulfate 147.41
    ethyl butyrate 277.05
    methyl lactate 189.56
    butyl lactate 211.49
    diethyl carbonate 179.23
    propanediol butyl ether 413.72
    triethyl orthoformate 196.15
    p-tert-butyltoluene 124.13
    methyl 4-tert-butylbenzoate 243.02
    morpholine 1120.24
    tert-butylamine 659.48
    n-dodecanol 163.81
    dimethoxymethane 341.14
    ethylene carbonate 278.46
    cyrene 237.16
    2-ethoxyethyl acetate 277.14
    2-ethylhexyl acetate 250.29
    1,2,4-trichlorobenzene 278.66
    4-methylpyridine 492.46
    dibutyl ether 365.76
    2,6-dimethyl-4-heptanol 182.82
    DEF 387.79
    dimethyl isosorbide 456.71
    tetrachloroethylene 479.32
    eugenol 233.97
    triacetin 348.7
    span 80 426.9
    1,4-butanediol 224.36
    1,1-dichloroethane 606.28
    2-methyl-1-pentanol 339.79
    methyl formate 205.61
    2-methyl-1-butanol 498.93
    n-decane 79.51
    butyronitrile 557.56
    3,7-dimethyl-1-octanol 293.45
    1-chlorooctane 211.29
    1-chlorotetradecane 89.11
    n-nonane 88.76
    undecane 59.41
    tert-butylcyclohexane 91.13
    cyclooctane 93.73
    cyclopentanol 649.83
    tetrahydropyran 1024.18
    tert-amyl methyl ether 330.28
    2,5,8-trioxanonane 537.64
    1-hexene 446.36
    2-isopropoxyethanol 298.62
    2,2,2-trifluoroethanol 189.11
    methyl butyrate 279.58

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Pelargonium sidoides Pelargonium sidoides DC., fam. Geraniaceae 0.01%